1-phenyl-N-piperidin-4-yl-5-propylpyrazole-4-carboxamide | 1244558-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-N-piperidin-4-yl-5-propylpyrazole-4-carboxamide
• CAS: 1244558-03-9
• 化学式: C₁₈H₂₄N₄O
• 分子量: 312.415
• InChiKey: WEZWFBRJEHTYHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  59
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(1-benzylpiperidin-4-yl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 在 palladium 10% on activated carbon 、 水 、 氢气 、 溶剂黄146 作用下， 反应 8.0h， 以94.5%的产率得到1-phenyl-N-piperidin-4-yl-5-propylpyrazole-4-carboxamide
  参考文献：
  名称：

  Discovery of novel α7 nicotinic receptor antagonists

  摘要：

  Two distinct families of small molecules were discovered as novel alpha 7 nicotinic acetylcholine receptor (nAChR) antagonists by pharmacophore-based virtual screening. These novel antagonists exhibited selectivity for the neuronal alpha 7 subtype over other nAChRs and good brain penetration. Neuroprotection was demonstrated by representative compounds 7i and 8 in a mouse seizure-like behavior model induced by the nerve agent diisopropylfluorophosphate (DFP). These novel nAChR antagonists have potential use as antidote for organophosphorus nerve agent intoxication. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.103